2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopentylpropanamide

C18H34N4O3S — CID 18137667

IUPAC2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C18H34N4O3S/c1-16(18(23)19-17-8-4-5-9-17)20-12-14-22(15-13-20)26(24,25)21-10-6-2-3-7-11-21/h16-17H,2-15H2,1H3,(H,19,23)
InChIKeyJKJWSBJZBYNZOO-UHFFFAOYSA-N
MW386.56 g/mol
LogP1.17
Rot. Bonds5

About 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopentylpropanamide

2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopentylpropanamide (PubChem CID 18137667) has the molecular formula C18H34N4O3S and a molecular weight of 386.56 g/mol. Its IUPAC name is 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopentylpropanamide
PubChem CID18137667
Molecular FormulaC18H34N4O3S
Molecular Weight386.56 g/mol
Exact Mass386.24
IUPAC Name2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C18H34N4O3S/c1-16(18(23)19-17-8-4-5-9-17)20-12-14-22(15-13-20)26(24,25)21-10-6-2-3-7-11-21/h16-17H,2-15H2,1H3,(H,19,23)
InChIKeyJKJWSBJZBYNZOO-UHFFFAOYSA-N
XLogP1.17
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopentylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopentylpropanamide?
The IUPAC name of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopentylpropanamide (CID 18137667) is 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopentylpropanamide is CC(C(=O)NC1CCCC1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopentylpropanamide?
The InChIKey is JKJWSBJZBYNZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O3S/c1-16(18(23)19-17-8-4-5-9-17)20-12-14-22(15-13-20)26(24,25)21-10-6-2-3-7-11-21/h16-17H,2-15H2,1H3,(H,19,23).
What are the key properties of 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopentylpropanamide?
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopentylpropanamide has a molecular weight of 386.56 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopentylpropanamide is sourced from PubChem (CID 18137667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).